2-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propanenitrile

C14H17N5S — CID 60702030

IUPAC2-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propanenitrile
SMILESCC(C)(C#N)N1CCN(c2ncnc3ccsc23)CC1
InChIInChI=1S/C14H17N5S/c1-14(2,9-15)19-6-4-18(5-7-19)13-12-11(3-8-20-12)16-10-17-13/h3,8,10H,4-7H2,1-2H3
InChIKeyDGJQVFRDZXUXMJ-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.12
Rot. Bonds2

About 2-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propanenitrile

2-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propanenitrile (PubChem CID 60702030) has the molecular formula C14H17N5S and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propanenitrile.

Molecular Properties

Compound Name2-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propanenitrile
PubChem CID60702030
Molecular FormulaC14H17N5S
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC Name2-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propanenitrile
SMILESCC(C)(C#N)N1CCN(c2ncnc3ccsc23)CC1
InChIInChI=1S/C14H17N5S/c1-14(2,9-15)19-6-4-18(5-7-19)13-12-11(3-8-20-12)16-10-17-13/h3,8,10H,4-7H2,1-2H3
InChIKeyDGJQVFRDZXUXMJ-UHFFFAOYSA-N
XLogP2.12
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propanenitrile?
The IUPAC name of 2-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propanenitrile (CID 60702030) is 2-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propanenitrile.
What is the SMILES notation for 2-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propanenitrile?
The canonical SMILES for 2-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propanenitrile is CC(C)(C#N)N1CCN(c2ncnc3ccsc23)CC1.
What is the InChIKey of 2-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propanenitrile?
The InChIKey is DGJQVFRDZXUXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S/c1-14(2,9-15)19-6-4-18(5-7-19)13-12-11(3-8-20-12)16-10-17-13/h3,8,10H,4-7H2,1-2H3.
What are the key properties of 2-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propanenitrile?
2-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propanenitrile has a molecular weight of 287.39 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propanenitrile is sourced from PubChem (CID 60702030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).